⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL19847791 | 0.81 | — | — | |
| SCHEMBL12216068 | 0.81 | — | — | |
| SCHEMBL21337611 | 0.73 | — | — | |
| SCHEMBL18978537 | 0.64 | GABRR1 (0.34) | — | |
| SCHEMBL3151557 | 0.61 | — | — | |
| SCHEMBL17244106 | 0.59 | TSHR (0.35) | — | |
| SCHEMBL22310512 | 0.58 | — | — | |
| SCHEMBL1355407 | 0.57 | TSHR (0.42) | — | |
| SCHEMBL25108503 | 0.56 | LMNA (0.37) | — | |
| SCHEMBL19053383 | 0.56 | TSHR (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3279234-A1 | CRYSTALLINE WHOLLY AROMATIC POLYESTER AND METHOD FOR PRODUCING SAME | JXTG Nippon Oil & Energy Corporation (JP) | 2018-02-07 | — | — | EP | disclosed |